Cas no 84392-17-6 (2-[4-(trifluoromethyl)phenyl]benzoic acid)

2-[4-(trifluoromethyl)phenyl]benzoic acid structure
84392-17-6 structure
Product Name:2-[4-(trifluoromethyl)phenyl]benzoic acid
CAS No:84392-17-6
MF:C14H9F3O2
MW:266.215274572372
MDL:MFCD00075353
CID:60692
PubChem ID:55251
Update Time:2025-10-05

2-[4-(trifluoromethyl)phenyl]benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 4'-(Trifluoromethyl)-[1,1'-biphenyl]-2-carboxylic acid
    • 4-(Trifluoromethyl)biphenyl-2-carboxylic acid
    • xenalipin
    • RARECHEM AL BO 1014
    • 4'-(TRIFLUOROMETHYL)-2-BIPHENYLCARBOXYLIC ACID
    • 4'-(TRIFLUOROMETHYL)[1,1'-BIPHENYL]-2-CARBOXYLIC ACID
    • 4'-TRIFLUOROMETHYL-BIPHENYL-2-CARBOXYLIC ACID
    • AKOS BAR-0249
    • Xenalipine
    • 4'-(Trifluoromethyl)biphenyl-2-carboxylic acid
    • 2-[4-(trifluoromethyl)phenyl]benzoic acid
    • 4-(Trifluoromethyl)-2'-biphenylcarboxylic acid
    • 4-(Trifluoromethyl)-[1,1'-biphenyl]-2-carboxylic acid
    • 2-(4-Trifluoromethylphenyl)benzoic acid
    • [1,1'-BIPHENYL]-2-CARBOXYLIC ACID, 4'-(TRIFLUOROMETHYL)-
    • 28W00I603X
    • NCGC00166
    • 4′-(Trifluoromethyl)[1,1′-biphenyl]-2-carboxylic acid (ACI)
    • 4′-(Trifluoromethyl)-2-biphenylcarboxylic acid
    • BW 207U
    • BRD-K99506538-001-03-8
    • 4'-(trifluoromethyl)-1,1'-biphenyl-2carboxylic acid
    • Xenalipin (USAN)
    • 4'-Trifluoromethyl-2-biphenylcarboxylic acid
    • HMS1405M07
    • SCHEMBL133087
    • 4'-(Trifluoromethyl)-2-biphenylcarboxylic acid, 97%
    • (1,1-BIPHENYL)-2-CARBOXYLIC ACID, 4-(TRIFLUOROMETHYL)-
    • 4 inverted exclamation mark -(Trifluoromethyl)biphenyl-2-carboxylic Acid
    • DTXCID8026565
    • NCGC00166227-01
    • Xenalipinum [Latin]
    • 4'-Trifluoromethyl-2-biphenyl carboxylic acid
    • Enamine_004143
    • AB02871
    • SR-01000944798-1
    • 4'-Trifluoromethyl-biphenyl-carboxylic acid
    • 4-'(trifluoromethyl)-1,1'-biphenyl-2-carboxylic acid
    • 4-(TRIFLUOROMETHYL)-2-BIPHENYLCARBOXYLIC ACID
    • 4'-(Trifluoromethyl)-[1,1'-biphenyl]-2-carboxylicacid
    • 4'-trifluoromethylbiphenyl-2-carboxylic acid
    • (1,1'-Biphenyl)-2-carboxylic acid, 4'-(trifluoromethyl)-
    • SY024670
    • EN300-16990
    • SR-01000944798
    • Xenalipina [Spanish]
    • Tox21_112359
    • AKOS000118885
    • 84392-17-6
    • UNII-28W00I603X
    • Xenalipine [French]
    • CS-0022404
    • XENALIPIN [USAN]
    • T3231
    • Xenalipinum
    • DTXSID0046565
    • Xenalipin [USAN:INN]
    • MFCD00075353
    • NS00122322
    • PS-7314
    • XENALIPIN [INN]
    • J-513908
    • BW-207U
    • BCP19959
    • Q27254352
    • Tox21_112359_1
    • D06336
    • Xenalipina
    • CHEMBL2104509
    • Z56854445
    • HY-34781
    • CAS-84392-17-6
    • NCGC00166227-02
    • 4'-(trifluoromethyl)-1,1'-biphenyl-2-carboxylic acid
    • MDL： MFCD00075353
    • Inchi： 1S/C14H9F3O2/c15-14(16,17)10-7-5-9(6-8-10)11-3-1-2-4-12(11)13(18)19/h1-8H,(H,18,19)
    • InChI Key： IQOMYCGTGFGDFN-UHFFFAOYSA-N
    • SMILES： O=C(C1C(C2C=CC(C(F)(F)F)=CC=2)=CC=CC=1)O
    • BRN： 7577560

Computed Properties

  • Exact Mass: 266.05500
  • Monoisotopic Mass: 266.055464
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 319
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.8
  • Topological Polar Surface Area: 37.3

Experimental Properties

  • Color/Form: solid
  • Density: 1.326
  • Melting Point: 169.0 to 173.0 deg-C
  • Boiling Point: 335.8°C at 760 mmHg
  • Flash Point: 156.9°C
  • PSA: 37.30000
  • LogP: 4.07060
  • Solubility: Not determined

2-[4-(trifluoromethyl)phenyl]benzoic acid Security Information

2-[4-(trifluoromethyl)phenyl]benzoic acid Customs Data

  • HS CODE：2916399090
  • Customs Data：

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

2-[4-(trifluoromethyl)phenyl]benzoic acid Pricemore >>

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2-[4-(trifluoromethyl)phenyl]benzoic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Water
1.2 Reagents: Sodium hydroxide Solvents: Methanol ,  Water
1.3 Reagents: Hydrochloric acid Solvents: Water
Reference
The nickel(I) catalyzed coupling of a diarylzinc with an aryl chloride in the synthesis of xenalipin
Eaddy, John F., Organic Preparations and Procedures International, 1995, 27(3), 367-72

Production Method 2

Reaction Conditions
1.1 Reagents: Oxygen Catalysts: Hydrochloric acid ,  6-Bromobenzothiazole Solvents: Acetonitrile ,  Water ;  24 h, 60 °C
1.2 Reagents: Sodium bicarbonate Solvents: Water
Reference
Light-Promoted Chlorine-Radical-Mediated Oxidation of Benzylic C(sp3)-H Bonds utilizing Air as Oxidant
Xu, Ning; et al, Advanced Synthesis & Catalysis, 2023, 365(2), 142-147

Production Method 3

Reaction Conditions
1.1 Reagents: Butyllithium ,  Zinc chloride Solvents: Tetrahydrofuran
1.2 Catalysts: Iodo[4-(trifluoromethyl)phenyl]bis(triphenylphosphine)palladium Solvents: Tetrahydrofuran
1.3 Reagents: Water Solvents: Diethyl ether
1.4 Reagents: Hydrochloric acid
1.5 Reagents: Sodium hydroxide
Reference
Synthesis of carbon-14 labeled xenalipin, a potential hypolipidemic agent
Hill, John A.; et al, Journal of Labelled Compounds and Radiopharmaceuticals, 1992, 31(12), 1011-17

Production Method 4

Reaction Conditions
1.1 Reagents: Trifluoroacetic acid ,  3-Aminobenzoic acid ,  Quinone Catalysts: Palladium diacetate Solvents: 1,4-Dioxane ;  48 h, 90 °C
2.1 -
Reference
Suzuki-Miyaura Type Regioselective C-H Arylation of Aromatic Aldehydes by a Transient Directing Strategy
Chao, Bao; et al, Organic Letters, 2023, 25(37), 6823-6829

Production Method 5

Reaction Conditions
1.1 Solvents: Dichloromethane
1.2 Reagents: Thionyl chloride
1.3 Reagents: Sodium hydroxide Solvents: Water
2.1 Reagents: Butyllithium ,  Zinc chloride Solvents: Tetrahydrofuran
2.2 Catalysts: Iodo[4-(trifluoromethyl)phenyl]bis(triphenylphosphine)palladium Solvents: Tetrahydrofuran
2.3 Reagents: Water Solvents: Diethyl ether
2.4 Reagents: Hydrochloric acid
2.5 Reagents: Sodium hydroxide
Reference
Synthesis of carbon-14 labeled xenalipin, a potential hypolipidemic agent
Hill, John A.; et al, Journal of Labelled Compounds and Radiopharmaceuticals, 1992, 31(12), 1011-17

Production Method 6

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Methanol ,  Water ;  14 h, 50 °C
1.2 Reagents: Hydrochloric acid Solvents: Ethyl acetate ,  Water ;  rt
Reference
Vitamin Catalysis: Direct, Photocatalytic Synthesis of Benzocoumarins via (-)-Riboflavin-Mediated Electron Transfer
Morack, Tobias; et al, Organic Letters, 2018, 20(5), 1316-1319

Production Method 7

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Ethanol ;  5 h, reflux
1.2 Reagents: Hydrochloric acid Solvents: Water ;  acidified
Reference
Electronic effects on the substitution reactions of benzhydrols and fluorenyl alcohols. Determination of mechanism and effects of antiaromaticity
George, Stephen R. D.; et al, Organic & Biomolecular Chemistry, 2015, 13(43), 10745-10750

Production Method 8

Reaction Conditions
1.1 Reagents: Permanganic acid (HMnO4), potassium salt (1:1) Solvents: Acetone ,  Water
Reference
Suzuki cross-coupling of arylboronic acids mediated by a hydrosoluble Pd(0)/TPPTS catalyst
Dupuis, C.; et al, Tetrahedron Letters, 2001, 42(37), 6523-6526

Production Method 9

Reaction Conditions
1.1 Catalysts: Palladium diacetate Solvents: Water ;  5 min, rt
1.2 Reagents: Potassium hydroxide ;  1 h, rt → 75 °C; 4 h, 75 °C
Reference
An improved protocol for ligandless Suzuki-Miyaura coupling in water
Korolev, Dmitrii N.; et al, Tetrahedron Letters, 2006, 47(25), 4225-4229

Production Method 10

Reaction Conditions
1.1 Reagents: Sodium carbonate Catalysts: Palladium diacetate Solvents: Acetonitrile ,  Water ;  rt → 60 °C; overnight, 60 °C
1.2 Reagents: Sodium hydroxide Solvents: Methanol ,  Water ;  rt → 50 °C; overnight, 50 °C
Reference
Transition-Metal-Free Synthesis of Phenanthridinones through Visible-Light-Driven Oxidative C-H Amidation
Usami, Kaoru; et al, European Journal of Organic Chemistry, 2020, 2020(10), 1496-1504

Production Method 11

Reaction Conditions
1.1 Reagents: Sodium carbonate Catalysts: Dichlorobis(triphenylphosphine)palladium Solvents: Tetrahydrofuran ,  Water ;  2 min, rt
1.2 rt; 12 h, 80 °C
1.3 Reagents: Sodium hydroxide Solvents: Methanol ,  Water ;  rt → 50 °C; 12 h, 50 °C
1.4 Reagents: Hydrochloric acid Solvents: Water ;  < pH 3
Reference
Photocatalytic Dehydrogenative Lactonization of 2-Arylbenzoic Acids
Ramirez, Nieves P.; et al, Organic Letters, 2015, 17(18), 4550-4553

Production Method 12

Reaction Conditions
Reference
Unveiling the potency of a phenalenyl-based photocatalyst for intramolecular dehydrogenative lactonization
Sen, Partha Pratim; et al, Organic Chemistry Frontiers, 2024, 11(1), 106-112

Production Method 13

Reaction Conditions
1.1 Reagents: N,N,N′,N′-Tetramethylethylenediamine ,  sec-Butyllithium
1.2 Reagents: Titanium ethoxide Solvents: Tetrahydrofuran ;  rt; 1 h, rt → 0 °C
1.3 0.5 h, rt
1.4 Reagents: Oxygen Catalysts: 1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone ,  Cobalt chloride (CoCl2) Solvents: Tetrahydrofuran ;  10 h, rt
1.5 Reagents: Hydrochloric acid Solvents: Water ;  rt
Reference
Room-temperature cobalt-catalyzed arylation of aromatic acids: overriding the ortho-selectivity via the oxidative assembly of carboxylate and aryl titanate reagents using oxygen
Liu, Kun-Ming; et al, Organic & Biomolecular Chemistry, 2016, 14(5), 1593-1598

Production Method 14

Reaction Conditions
1.1 Reagents: Potassium carbonate Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: Acetonitrile ,  Water
Reference
A practical preparation of 2-carboxyphenylboronic acid and its application for the preparation of biaryl-2-carboxylic acids using Suzuki coupling reactions
Tao, Bin; et al, Synthesis, 2002, (8), 1043-1046

Production Method 15

Reaction Conditions
1.1 Reagents: Sodium carbonate Catalysts: Palladium diacetate ,  2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl Solvents: Acetonitrile ,  Water ;  overnight, reflux
2.1 Reagents: Sodium hydroxide Solvents: Ethanol ;  5 h, reflux
2.2 Reagents: Hydrochloric acid Solvents: Water ;  acidified
Reference
Electronic effects on the substitution reactions of benzhydrols and fluorenyl alcohols. Determination of mechanism and effects of antiaromaticity
George, Stephen R. D.; et al, Organic & Biomolecular Chemistry, 2015, 13(43), 10745-10750

2-[4-(trifluoromethyl)phenyl]benzoic acid Raw materials

2-[4-(trifluoromethyl)phenyl]benzoic acid Preparation Products

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